CID 54694251

37704-44-2

Structural Information

Molecular Formula
C12H15NO4
SMILES
COC(=O)C1=C2CCCCCN2C(=O)C=C1O
InChI
InChI=1S/C12H15NO4/c1-17-12(16)11-8-5-3-2-4-6-13(8)10(15)7-9(11)14/h7,14H,2-6H2,1H3
InChIKey
SFHKBRKOHLUOMZ-UHFFFAOYSA-N
Compound name
methyl 2-hydroxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

237.10011 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 145.6
[M+Na]+ 260.08933 152.0
[M-H]- 236.09283 148.9
[M+NH4]+ 255.13393 161.6
[M+K]+ 276.06327 154.6
[M+H-H2O]+ 220.09737 140.0
[M+HCOO]- 282.09831 163.2
[M+CH3COO]- 296.11396 190.3
[M+Na-2H]- 258.07478 149.8
[M]+ 237.09956 143.1
[M]- 237.10066 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.